3-pent-4-enoxypropylbenzene

C14H20O — CID 11298664

IUPAC3-pent-4-enoxypropylbenzene
SMILESC=CCCCOCCCc1ccccc1
InChIInChI=1S/C14H20O/c1-2-3-7-12-15-13-8-11-14-9-5-4-6-10-14/h2,4-6,9-10H,1,3,7-8,11-13H2
InChIKeySWQAJVXLMSNZBY-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.60
Rot. Bonds8

About 3-pent-4-enoxypropylbenzene

3-pent-4-enoxypropylbenzene (PubChem CID 11298664) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-pent-4-enoxypropylbenzene.

Molecular Properties

Compound Name3-pent-4-enoxypropylbenzene
PubChem CID11298664
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name3-pent-4-enoxypropylbenzene
SMILESC=CCCCOCCCc1ccccc1
InChIInChI=1S/C14H20O/c1-2-3-7-12-15-13-8-11-14-9-5-4-6-10-14/h2,4-6,9-10H,1,3,7-8,11-13H2
InChIKeySWQAJVXLMSNZBY-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pent-4-enoxypropylbenzene?
The IUPAC name of 3-pent-4-enoxypropylbenzene (CID 11298664) is 3-pent-4-enoxypropylbenzene.
What is the SMILES notation for 3-pent-4-enoxypropylbenzene?
The canonical SMILES for 3-pent-4-enoxypropylbenzene is C=CCCCOCCCc1ccccc1.
What is the InChIKey of 3-pent-4-enoxypropylbenzene?
The InChIKey is SWQAJVXLMSNZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-2-3-7-12-15-13-8-11-14-9-5-4-6-10-14/h2,4-6,9-10H,1,3,7-8,11-13H2.
What are the key properties of 3-pent-4-enoxypropylbenzene?
3-pent-4-enoxypropylbenzene has a molecular weight of 204.31 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-enoxypropylbenzene is sourced from PubChem (CID 11298664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).